1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-(3-methylfuran-2-yl)ethenyl]benzimidazole

C23H21ClN2O — CID 70852879

About 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-(3-methylfuran-2-yl)ethenyl]benzimidazole

1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-(3-methylfuran-2-yl)ethenyl]benzimidazole (PubChem CID 70852879) has the molecular formula C23H21ClN2O and a molecular weight of 376.89 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-(3-methylfuran-2-yl)ethenyl]benzimidazole.

Molecular Properties

• Compound Name: 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-(3-methylfuran-2-yl)ethenyl]benzimidazole
• PubChem CID: 70852879
• Molecular Formula: C23H21ClN2O
• Molecular Weight: 376.89 g/mol
• Exact Mass: 376.13
• IUPAC Name: 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-(3-methylfuran-2-yl)ethenyl]benzimidazole
• SMILES: Cc1cc2nc(/C=C/c3occc3C)n(Cc3ccc(Cl)cc3)c2cc1C
• InChI: InChI=1S/C23H21ClN2O/c1-15-10-11-27-22(15)8-9-23-25-20-12-16(2)17(3)13-21(20)26(23)14-18-4-6-19(24)7-5-18/h4-13H,14H2,1-3H3/b9-8+
• InChIKey: HKFBHOPANYPSJW-CMDGGOBGSA-N
• XLogP: 6.43
• TPSA: 30.96 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.89
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-(3-methylfuran-2-yl)ethenyl]benzimidazole?

The IUPAC name of 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-(3-methylfuran-2-yl)ethenyl]benzimidazole (CID 70852879) is 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-(3-methylfuran-2-yl)ethenyl]benzimidazole.

What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-(3-methylfuran-2-yl)ethenyl]benzimidazole?

The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-(3-methylfuran-2-yl)ethenyl]benzimidazole is Cc1cc2nc(/C=C/c3occc3C)n(Cc3ccc(Cl)cc3)c2cc1C.

What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-(3-methylfuran-2-yl)ethenyl]benzimidazole?

The InChIKey is HKFBHOPANYPSJW-CMDGGOBGSA-N. The full InChI is InChI=1S/C23H21ClN2O/c1-15-10-11-27-22(15)8-9-23-25-20-12-16(2)17(3)13-21(20)26(23)14-18-4-6-19(24)7-5-18/h4-13H,14H2,1-3H3/b9-8+.

What are the key properties of 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-(3-methylfuran-2-yl)ethenyl]benzimidazole?

1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-(3-methylfuran-2-yl)ethenyl]benzimidazole has a molecular weight of 376.89 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-(3-methylfuran-2-yl)ethenyl]benzimidazole is sourced from PubChem (CID 70852879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).